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CHEBI:124443 - N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide

ChEBI IDCHEBI:124443
ChEBI NameN-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide
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DownloadsMolfile
FormulaC18H29N3O5S
Net Charge0
Average Mass399.513
Monoisotopic Mass399.18279
SMILESCNC[C@@H]1Oc2ccc(NS(C)(=O)=O)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C
InChIInChI=1S/C18H29N3O5S/c1-12-10-21(13(2)11-22)18(23)8-14-7-15(20-27(4,24)25)5-6-16(14)26-17(12)9-19-3/h5-7,12-13,17,19-20,22H,8-11H2,1-4H3/t12-,13-,17-/m0/s1
InChIKeyXOTYHNIEAMYTDW-DCGLDWPTSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]methanesulfonamide (CHEBI:124443) is a sulfonamide (CHEBI:35358)
Manual XrefsDatabases
LSM-35885LINCS